SCHEMBL19670512

SCHEMBL19670512

CCN1CC[C@@H](C)N(C(=O)Nc2cnn(C)c2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.37
▸ WNT3A P56704 5/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CD69 Q07108 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MAP3K19 Q56UN5 1/20 0.34
▸ CDKL2 Q92772 1/20 0.34
▸ RIOK1 Q9BRS2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19865050 0.87 HTR2C (0.40) WNT3A
SCHEMBL19669734 0.87 MAT2A (0.40) WNT3ADYRK1A
SCHEMBL19670622 0.85 CSF1R (0.40) BTKWNT3ARPS6KA2CSF1RPSEN1
SCHEMBL19670593 0.84 JAK1 (0.38) RPS6KA2
SCHEMBL19669970 0.82 PIK3CA (0.36) WNT3AJAK2
SCHEMBL19670590 0.82 IRAK4 (0.41) CSF1R
SCHEMBL19670405 0.82 BRAF (0.40) WNT3ADYRK1A
SCHEMBL17618695 0.81 BTK (0.39) BTKWNT3AJAK2
SCHEMBL16776500 0.81 BTK (0.37) BTKWNT3APSEN1PSEN2APH1B
SCHEMBL19670135 0.80 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
Send feedback